SCHEMBL844697

SCHEMBL844697

O=C(Cl)C1(c2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.57
HSD11B1 P28845 3/20 0.53
HDAC4 P56524 3/20 0.50
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
HDAC9 Q9UKV0 1/20 0.44
THRB P10828 1/20 0.44
HDAC1 Q13547 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TET3 O43151 1/20 0.42
FBXL19 Q6PCT2 1/20 0.42
CXXC5 Q7LFL8 1/20 0.42
TET1 Q8NFU7 1/20 0.42
KDM2B Q8NHM5 1/20 0.42
CXXC4 Q9H2H0 1/20 0.42
KDM2A Q9Y2K7 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL248544 0.91 AKR1C1 (0.64) AKR1C1HSD11B1HDAC4KMT2AMEN1
SCHEMBL6349290 0.91 AKR1C1 (0.70) AKR1C1HSD11B1HDAC4KMT2AMEN1
SCHEMBL1061631 0.90 AKR1C1 (0.68) AKR1C1HSD11B1HDAC4KMT2AMEN1
SCHEMBL19335064 0.90 AKR1C1 (0.68) AKR1C1HSD11B1HDAC4KMT2AMEN1
SCHEMBL19249604 0.90 AKR1C1 (0.68) AKR1C1HSD11B1HDAC4KMT2AMEN1
SCHEMBL19335085 0.90 AKR1C1 (0.68) AKR1C1HSD11B1HDAC4KMT2AMEN1
Hydrochloric Acid SCHEMBL11114113 0.85 OPRM1 (0.56) AKR1C1HSD11B1HDAC4HDAC1
SCHEMBL5172596 0.83 KMT2A (0.53) AKR1C1HSD11B1KMT2AMEN1SMN1; SMN2
SCHEMBL4917642 0.83 OPRM1 (0.61) AKR1C1HSD11B1
SCHEMBL3116138 0.81 AKR1C1 (0.61) AKR1C1HSD11B1HDAC4KMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 130 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113061098-B Amide compound and derivative thereof, preparation method, pharmaceutical composition and application 中国药科大学 2022-08-30 CN disclosed
US-11059858-B2 Difluoroketamide derivatives as HtrA1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2021-07-13 US disclosed
CN-113061098-A Amide compound and derivative thereof, preparation method, pharmaceutical composition and application 中国药科大学 2021-07-02 CN disclosed
US-11020398-B2 Amino-pyrrolopyrimidinone compounds and methods of use thereof ARQULE, INC. (US) 2021-06-01 US disclosed
US-10668051-B2 Modulators of calcium release-activated calcium channel RHIZEN PHARMACEUTICALS SA (CH) 2020-06-02 US disclosed
CN-105732624-B The preparation method and its usage of pyrroles [4,3,2-de] quinoline -2 (1H) -one class BRD4 protein inhibitor 中国药科大学 2019-08-02 CN disclosed
EP-3504213-A1 AMINO-PYRROLOPYRIMIDINONE COMPOUNDS AND METHODS OF USE THEREOF ArQule, Inc. (US) 2019-07-03 EP disclosed
US-20190160046-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL RHIZEN PHARMACEUTICALS AG (CH) 2019-05-30 US disclosed
US-10246450-B2 Modulators of calcium release-activated calcium channel RHIZEN PHARMACEUTICALS SA (CH) 2019-04-02 US disclosed
US-20180222898-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL RHIZEN PHARMACEUTICALS AG (CH) 2018-08-09 US disclosed
EP-1079830-A1 BENZIMIDAZOLE ANALOGS AS DOWN-REGULATORS OF IgE Avanir Pharmaceuticals (US) 2001-03-07 EP disclosed
WO-2000076505-A1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2000-12-21 WO disclosed
US-6124354-A TREATMENT OF URINARY INCONTINENCE OR IRRITABLE BOWEL SYNDROME PHARMACIA & UPJOHN AB (SE) 2000-09-26 US disclosed
WO-1999061020-A1 BENZIMIDAZOLE ANALOGS AS DOWN-REGULATORS OF IgE AVANIR PHARMACEUTICALS (US) 1999-12-02 WO disclosed
CN-1226886-A Arylcycloalkane carboxylic acid esters, their use, pharmaceutical compositions and process for their preparation PHARMACIA & UPJOHN AB (SE) 1999-08-25 CN disclosed
EP-0923536-A1 ARYLCYCLOALKANE CARBOXYLIC ESTERS, THEIR USE, PHARMACEUTICAL COMPOSITIONS AND PREPARATION Pharmacia & Upjohn Aktiebolag (SE) 1999-06-23 EP disclosed
WO-1998046599-A1 NOVEL CARBOXAMIDES AS PLATELET AGGREGATION INHIBITORS J. URIACH & CIA. S.A. (ES) 1998-10-22 WO disclosed
US-5723475-A Arylpiperidine and arylpiperazine derivatives and medicament containing the same SUNTORY LIMITED (JP) 1998-03-03 US disclosed
WO-1998004517-A1 ARYLCYCLOALKANE CARBOXYLIC ESTERS, THEIR USE, PHARMACEUTICAL COMPOSITIONS AND PREPARATION PHARMACIA & UPJOHN AB (SE) 1998-02-05 WO disclosed
EP-0757986-A1 ARYLPIPERIDINE AND ARYLPIPERAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME SUNTORY LIMITED (JP) 1997-02-12 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10668051-B2 Modulators of calcium release-activated calcium channel ORAI1, CACNB2, CACNB1 AKR1C1 4292/4885HSD11B1 4674/4885HDAC4 2394/4885
US-11059858-B2 Difluoroketamide derivatives as HtrA1 inhibitors HTRA1, HTR1A, HTR1E AKR1C1 2194/4885HSD11B1 1546/4885HDAC4 3119/4885
US-11020398-B2 Amino-pyrrolopyrimidinone compounds and methods of use thereof BTK, SYK, LCK AKR1C1 1586/4885HSD11B1 1134/4885HDAC4 1949/4885
US-20190160046-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL ORAI1, CACNB2, CACNA1E AKR1C1 4261/4885HSD11B1 4687/4885HDAC4 2372/4885
US-20180222898-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL ORAI1, CACNB2, CACNA1E AKR1C1 4261/4885HSD11B1 4687/4885HDAC4 2372/4885
US-10246450-B2 Modulators of calcium release-activated calcium channel ORAI1, CACNB2, CACNB1 AKR1C1 4292/4885HSD11B1 4674/4885HDAC4 2394/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.